2-Chloroinosine Monophosphate
[CAS# 26550-86-7]

Identification

• Name: 2-Chloroinosine Monophosphate
• Synonyms: [(2R,3S,4R,5R)-5-(2-Chloro-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Chloro-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Dihydrogen Phosphate; [(2R,3S,4R,5R)-5-(2-Chloro-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate
• Molecular Formula: C₁₀H₁₂ClN₄O₈P
• Molecular Weight: 382.65
• CAS Registry Number: 26550-86-7
• SMILES: [C@H]1(O)[C@@H](O[C@@H]([C@H]1O)CO[P](O)(O)=O)[N]2C3=C(N=C2)C(=O)N=C(Cl)N3
• InChI: 1S/C10H12ClN4O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,13,14,18)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
• InChIKey: PDEHTPJGNSQPMN-UUOKFMHZSA-N

Properties

• Density: 2.4g/cm³ (Cal.)
• Boiling point: 850.617°C at 760 mmHg (Cal.)
• Flash point: 468.236°C (Cal.)